2-(3-azanyl-4-ethoxycarbonyloxycarbonyl-thiophen-2-yl)pentanoic acid

Systemtic Name: 2-(3-azanyl-4-ethoxycarbonyloxycarbonyl-thiophen-2-yl)pentanoic acid Openeye Name: 2-(3-amino-4-ethoxycarbonyloxycarbonyl-2-thienyl)pentanoic acid CAS Name: 2-[3-amino-4-[ethoxycarbonyloxy(oxo)methyl]-2-thiophenyl]pentanoic acid IUPAC Name: 2-(3-amino-4-ethoxycarbonyloxycarbonylthiophen-2-yl)pentanoic acid Traditional Name: 2-(3-amino-4-carbethoxyoxycarbonyl-2-thienyl)valeric acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C(=CS1)C(=O)OC(=O)OCC)N)C(=O)O

Isomeric SMILES

CCCC(C1=C(C(=CS1)C(=O)OC(=O)OCC)N)C(=O)O

InChI

InChI=1S/C13H17NO6S/c1-3-5-7(11(15)16)10-9(14)8(6-21-10)12(17)20-13(18)19-4-2/h6-7H,3-5,14H2,1-2H3,(H,15,16)